N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride

C17H27Cl2N3O3 — CID 119836475

IUPACN-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)C1CNCCO1.Cl.Cl
InChIInChI=1S/C17H25N3O3.2ClH/c1-19(17(21)16-12-18-6-9-23-16)13-14-4-2-3-5-15(14)20-7-10-22-11-8-20;;/h2-5,16,18H,6-13H2,1H3;2*1H
InChIKeyQTTXDFKENXPFLT-UHFFFAOYSA-N
MW392.33 g/mol
LogP1.31
Rot. Bonds4

About N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride

N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119836475) has the molecular formula C17H27Cl2N3O3 and a molecular weight of 392.33 g/mol. Its IUPAC name is N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119836475
Molecular FormulaC17H27Cl2N3O3
Molecular Weight392.33 g/mol
Exact Mass391.14
IUPAC NameN-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)C1CNCCO1.Cl.Cl
InChIInChI=1S/C17H25N3O3.2ClH/c1-19(17(21)16-12-18-6-9-23-16)13-14-4-2-3-5-15(14)20-7-10-22-11-8-20;;/h2-5,16,18H,6-13H2,1H3;2*1H
InChIKeyQTTXDFKENXPFLT-UHFFFAOYSA-N
XLogP1.31
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-2-carboxamide
CID 124685793
(2R,3S)-N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
CID 120938281
N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119681071
(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51925066
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119682474
(3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 124685812
(2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
CID 120938273
(3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 124685882
2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid
CID 104548311
N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119751324
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;dihydrochloride
CID 119836459

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride (CID 119836475) is N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride is CN(Cc1ccccc1N1CCOCC1)C(=O)C1CNCCO1.Cl.Cl.
What is the InChIKey of N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is QTTXDFKENXPFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.2ClH/c1-19(17(21)16-12-18-6-9-23-16)13-14-4-2-3-5-15(14)20-7-10-22-11-8-20;;/h2-5,16,18H,6-13H2,1H3;2*1H.
What are the key properties of N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride?
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 392.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119836475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).